N-butan-2-yl-3-(tetrazol-1-yl)benzamide

C12H15N5O — CID 42651210

IUPACN-butan-2-yl-3-(tetrazol-1-yl)benzamide
SMILESCCC(C)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-3-9(2)14-12(18)10-5-4-6-11(7-10)17-8-13-15-16-17/h4-9H,3H2,1-2H3,(H,14,18)
InChIKeyBXLLZCXTMSWONR-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.19
Rot. Bonds4

About N-butan-2-yl-3-(tetrazol-1-yl)benzamide

N-butan-2-yl-3-(tetrazol-1-yl)benzamide (PubChem CID 42651210) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-butan-2-yl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(tetrazol-1-yl)benzamide
PubChem CID42651210
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-butan-2-yl-3-(tetrazol-1-yl)benzamide
SMILESCCC(C)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-3-9(2)14-12(18)10-5-4-6-11(7-10)17-8-13-15-16-17/h4-9H,3H2,1-2H3,(H,14,18)
InChIKeyBXLLZCXTMSWONR-UHFFFAOYSA-N
XLogP1.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
CID 46436898
3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709495
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
methyl 4-methylsulfanyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]butanoate
CID 71949726

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-butan-2-yl-3-(tetrazol-1-yl)benzamide (CID 42651210) is N-butan-2-yl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-butan-2-yl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-butan-2-yl-3-(tetrazol-1-yl)benzamide is CCC(C)NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-butan-2-yl-3-(tetrazol-1-yl)benzamide?
The InChIKey is BXLLZCXTMSWONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-9(2)14-12(18)10-5-4-6-11(7-10)17-8-13-15-16-17/h4-9H,3H2,1-2H3,(H,14,18).
What are the key properties of N-butan-2-yl-3-(tetrazol-1-yl)benzamide?
N-butan-2-yl-3-(tetrazol-1-yl)benzamide has a molecular weight of 245.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42651210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).